Information card for entry 4035854

Structure parameters

• Formula: C41.25 H37.5 N2.5 O5 Si1.25
• Calculated formula: C39 H36 N2 O4 Si
• SMILES: c1(ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C1=C[C@H]3[C@@H]4[C@H]([C@]51[C@@H]2C=CC=C5[Si]3(C)C)C(=O)N(C4=O)c1ccccc1)C.c1ccccc1
• Title of publication: Cascade Multiple Diels-Alder Reactions of Styrene Derivatives with Maleimide or Maleic Anhydride.
• Authors of publication: Yoshioka, Shohei; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 12
• Pages of publication: 6599 - 6606
• a: 9.896 ± 0.002 Å
• b: 12.3718 ± 0.0016 Å
• c: 26.501 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3244.6 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No